CID 372624

Nsc648063

Structural Information

Molecular Formula
C26H34N4O2
SMILES
CN(C)CCCCC1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CC=C42
InChI
InChI=1S/C26H34N4O2/c1-28(2)16-8-7-9-20-14-17-29(18-15-20)19-25(31)30-23-12-5-3-10-21(23)26(32)27-22-11-4-6-13-24(22)30/h3-6,10-13,20H,7-9,14-19H2,1-2H3,(H,27,32)
InChIKey
JZENZHJOXSUJPP-UHFFFAOYSA-N
Compound name
11-[2-[4-[4-(dimethylamino)butyl]piperidin-1-yl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.2682 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.27548 208.8
[M+Na]+ 457.25742 210.9
[M-H]- 433.26092 212.4
[M+NH4]+ 452.30202 215.0
[M+K]+ 473.23136 209.1
[M+H-H2O]+ 417.26546 197.0
[M+HCOO]- 479.26640 218.4
[M+CH3COO]- 493.28205 213.8
[M+Na-2H]- 455.24287 208.2
[M]+ 434.26765 203.3
[M]- 434.26875 203.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.